2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid

C15H16N2O4 — CID 62697710

IUPAC2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid
SMILESO=C(O)C(NC1CC(=O)N(c2ccccc2)C1=O)C1CC1
InChIInChI=1S/C15H16N2O4/c18-12-8-11(16-13(15(20)21)9-6-7-9)14(19)17(12)10-4-2-1-3-5-10/h1-5,9,11,13,16H,6-8H2,(H,20,21)
InChIKeyCGDGABFICNKYGZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.77
Rot. Bonds5

About 2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid

2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid (PubChem CID 62697710) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid
PubChem CID62697710
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid
SMILESO=C(O)C(NC1CC(=O)N(c2ccccc2)C1=O)C1CC1
InChIInChI=1S/C15H16N2O4/c18-12-8-11(16-13(15(20)21)9-6-7-9)14(19)17(12)10-4-2-1-3-5-10/h1-5,9,11,13,16H,6-8H2,(H,20,21)
InChIKeyCGDGABFICNKYGZ-UHFFFAOYSA-N
XLogP0.77
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid (CID 62697710) is 2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid is O=C(O)C(NC1CC(=O)N(c2ccccc2)C1=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid?
The InChIKey is CGDGABFICNKYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-12-8-11(16-13(15(20)21)9-6-7-9)14(19)17(12)10-4-2-1-3-5-10/h1-5,9,11,13,16H,6-8H2,(H,20,21).
What are the key properties of 2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid?
2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 62697710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).